5-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[4-[(2-fluorobenzoyl)amino]phenyl]thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F

InChI

InChI=1S/C22H17FN2O5S/c23-18-4-2-1-3-16(18)21(28)25-13-5-8-15(9-6-13)31-12-20(27)24-14-7-10-19(26)17(11-14)22(29)30/h1-11,26H,12H2,(H,24,27)(H,25,28)(H,29,30)